Basic information
- CAS
77711-83-2- Standard SMILES
CC[NH+](CC)CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1.O=C([O-])C(=O)O- InChIKey
STGDCYWXGXNATL-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O5S
- Average molar mass
- 438.9 g/mol
- Monoisotopic mass
- 438.1016207
Names & identifiers
- Preferred name
- Acetanilide, 2'-(p-chlorophenylthio)-2-(diethylamino)-, oxalate
- IUPAC
- [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-diethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
2'-(p-Chlorophenylthio)-2-(diethylamino)acetanilide oxalate77711-83-2ACETANILIDE, 2'-(p-CHLOROPHENYLTHIO)-2-(DIETHYLAMINO)-, OXALATERefChem:315682
Database identifiers
- CAS
77711-83-2- PubChem CID
- 53733
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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